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121 research outcomes, page 1 of 13
  • publication . Article . Preprint . 2014
    Open Access
    Authors:
    Burbano, Mario; Nadin, Sian; Marrocchelli, Dario; Salanne, Mathieu; Watson, Graeme W.;
    Publisher: Royal Society of Chemistry (RSC)
    Project: SFI | Understanding the role of... (12/IA/1414), EC | HPC-EUROPA2 (228398), SFI | Computer modelling of oxi... (08/RFP/MTR1044)

    Ceria (CeO$_{2}$) co-doping has been suggested as a means to achieve ionic conductivities that are significantly higher than those in singly-doped systems. Rekindled interest in this topic over the last decade has given rise to claims of much improved performance. The p...

  • publication . Article . 2013
    Open Access English
    Authors:
    Sieffert, Nicolas; Bühl, Michael; Gaigeot, Marie-Pierre; Morrison, Carole A.;
    Publisher: HAL CCSD
    Project: EC | HPC-EUROPA2 (228398)

    We present a comparative study of computational protocols for the description of liquid methanol from ab initio molecular dynamics simulations, in view of further applications directed at the modeling of chemical reactivity of organic and organometallic molecules in (ex...

  • publication . Article . Other literature type . 2011
    Open Access
    Authors:
    Del Ben, M; Havenith, R W A; Broer, R; Stener, M;
    Publisher: American Chemical Society (ACS)
    Project: EC | HPC-EUROPA2 (228398), NWO | many-Electron Bands for C... (2300150294)

    The geometrical and electronic structures of a series of small CdSe quantum dots protected by various ligands have been studied by density functional theory. UV-vis spectra have been calculated by time-dependent density functional theory (TDDFT). The goal of this invest...

  • publication . Preprint . Article . 2010
    Open Access English
    Authors:
    Pietro de Anna; Francesca Di Patti; Duccio Fanelli; Alan J. McKane; Thierry Dauxois;
    Project: EC | HPC-EUROPA2 (228398)

    Comment: Submitted to Phys. Rev. E

  • publication . Article . 2013
    Open Access
    Authors:
    Kerkeni, Boutheina; Bromley, Stefan T.;
    Publisher: Oxford University Press (OUP)
    Project: EC | HPC-EUROPA2 (228398), EC | LASSIE (238258)
  • publication . Article . Other literature type . Preprint . 2010
    Open Access English
    Authors:
    Cardillo, A.; Gomez-Gardenes, J.; Vilone, D.; Sanchez, A.;
    Publisher: IOP PUBLISHING LTD
    Project: EC | HPC-EUROPA2 (228398)

    In this work we study a weak Prisoner\^as Dilemma game in which both strategies and update rules are subjected to evolutionary pressure. Interactions among agents are specified by complex topologies, and we consider both homogeneous and heterogeneous situations. We cons...

  • publication . Article . 2012
    Open Access English
    Authors:
    D. Pino; J. Vilà-Guerau de Arellano; W. Peters; J. Schröter; C. C. van Heerwaarden; M. C. Krol;
    Project: EC | HPC-EUROPA2 (228398)

    Interpretation of observed diurnal carbon dioxide (CO2) mixing ratios near the surface requires knowledge of the local dynamics of the planetary boundary layer. In this paper, we study the relationship between the boundary layer dynamics and the CO2 budget in convective...

  • publication . Article . Other literature type . Preprint . 2012
    Open Access English
    Authors:
    Rasia, E.; Meneghetti, M.; Martino, R.; Borgani, S.; Bonafede, A.; Dolag, K.; Ettori, S.; Fabjan, D.; Giocoli, C.; Mazzotta, P.; ...
    Publisher: IOP PUBLISHING LTD
    Project: EC | COSMOCOMP (238356), EC | HPC-EUROPA2 (228398), EC | GLENCO (259349)

    Comment: 17 pages, 7 figures, 7 tables, 2 appendices, submitted to New Journal of Physics

  • publication . Article . 2015
    Open Access English
    Authors:
    Hanna G. Lagger; Thomas Breinlinger; Jan G. Korvink; Michael Moseler; Alberto Di Renzo; Francesco Di Maio; Claas Bierwisch;
    Project: EC | HPC-EUROPA2 (228398)

    Abstract Simulations of magnetorheological fluids are performed with different models for the hydrodynamic drag law. The shear stress predictions from two coupled discrete element – smoothed particle hydrodynamics models with different drag laws are compared to pure dis...

  • publication . Article . 2010
    Open Access
    Authors:
    Raimondi, Francesco; Orozco, Modesto; Fanelli, Francesca;
    Publisher: Elsevier BV
    Project: EC | HPC-EUROPA2 (228398)

    Summary The evolutionary and physical deformability patterns of members of the Ras GTPase superfamily were investigated by Principal Component and Elastic Network-Normal Mode analyses. The study helped to decipher the dynamics information encrypted into the conserved co...

121 research outcomes, page 1 of 13
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